1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene

C31H38 — CID 139711116

IUPAC1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
SMILESCCCCC1CCCCC1C(CC)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H38/c1-3-5-13-26-16-9-10-17-29(26)28(4-2)31-19-12-11-18-30(31)27-22-20-25(21-23-27)24-14-7-6-8-15-24/h6-8,11-12,14-15,18-23,26,28-29H,3-5,9-10,13,16-17H2,1-2H3
InChIKeyHZXOMLLWUUJOCZ-UHFFFAOYSA-N
MW410.65 g/mol
LogP9.51
Rot. Bonds8

About 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene

1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene (PubChem CID 139711116) has the molecular formula C31H38 and a molecular weight of 410.65 g/mol. Its IUPAC name is 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
PubChem CID139711116
Molecular FormulaC31H38
Molecular Weight410.65 g/mol
Exact Mass410.30
IUPAC Name1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
SMILESCCCCC1CCCCC1C(CC)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H38/c1-3-5-13-26-16-9-10-17-29(26)28(4-2)31-19-12-11-18-30(31)27-22-20-25(21-23-27)24-14-7-6-8-15-24/h6-8,11-12,14-15,18-23,26,28-29H,3-5,9-10,13,16-17H2,1-2H3
InChIKeyHZXOMLLWUUJOCZ-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
CID 139711027
2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711157
2-methoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711110
1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711183
5-[1-(2-butylcyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711149
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
(2-butylcyclopentyl)benzene
CID 20616758
(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine
CID 122605589
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-(4-pentylcyclohexyl)-4-[2-(1,2,2-trifluoropentyl)phenyl]benzene
CID 23188519

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
The IUPAC name of 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene (CID 139711116) is 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene.
What is the SMILES notation for 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
The canonical SMILES for 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene is CCCCC1CCCCC1C(CC)c1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
The InChIKey is HZXOMLLWUUJOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38/c1-3-5-13-26-16-9-10-17-29(26)28(4-2)31-19-12-11-18-30(31)27-22-20-25(21-23-27)24-14-7-6-8-15-24/h6-8,11-12,14-15,18-23,26,28-29H,3-5,9-10,13,16-17H2,1-2H3.
What are the key properties of 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene has a molecular weight of 410.65 g/mol, XLogP of 9.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene is sourced from PubChem (CID 139711116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).